2-fluoro-N-methyl-N-[2-(3-methylphenoxy)ethyl]-5-(methylsulfamoyl)benzamide

C18H21FN2O4S — CID 55440414

IUPAC2-fluoro-N-methyl-N-[2-(3-methylphenoxy)ethyl]-5-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1ccc(F)c(C(=O)N(C)CCOc2cccc(C)c2)c1
InChIInChI=1S/C18H21FN2O4S/c1-13-5-4-6-14(11-13)25-10-9-21(3)18(22)16-12-15(7-8-17(16)19)26(23,24)20-2/h4-8,11-12,20H,9-10H2,1-3H3
InChIKeyGBTHFYQAXZDGNK-UHFFFAOYSA-N
MW380.44 g/mol
LogP2.19
Rot. Bonds7

About 2-fluoro-N-methyl-N-[2-(3-methylphenoxy)ethyl]-5-(methylsulfamoyl)benzamide

2-fluoro-N-methyl-N-[2-(3-methylphenoxy)ethyl]-5-(methylsulfamoyl)benzamide (PubChem CID 55440414) has the molecular formula C18H21FN2O4S and a molecular weight of 380.44 g/mol. Its IUPAC name is 2-fluoro-N-methyl-N-[2-(3-methylphenoxy)ethyl]-5-(methylsulfamoyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-methyl-N-[2-(3-methylphenoxy)ethyl]-5-(methylsulfamoyl)benzamide
PubChem CID55440414
Molecular FormulaC18H21FN2O4S
Molecular Weight380.44 g/mol
Exact Mass380.12
IUPAC Name2-fluoro-N-methyl-N-[2-(3-methylphenoxy)ethyl]-5-(methylsulfamoyl)benzamide
SMILESCNS(=O)(=O)c1ccc(F)c(C(=O)N(C)CCOc2cccc(C)c2)c1
InChIInChI=1S/C18H21FN2O4S/c1-13-5-4-6-14(11-13)25-10-9-21(3)18(22)16-12-15(7-8-17(16)19)26(23,24)20-2/h4-8,11-12,20H,9-10H2,1-3H3
InChIKeyGBTHFYQAXZDGNK-UHFFFAOYSA-N
XLogP2.19
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-fluoro-N-methyl-N-[2-(3-methylphenoxy)ethyl]-5-(methylsulfamoyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,2-dimethyl-N-[2-(3-methylphenoxy)ethyl]-5-(propan-2-ylsulfamoyl)benzamide
CID 24517235
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 26979981
3-[(3-fluoro-4-methylphenyl)sulfonylamino]-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 26980104
2-fluoro-N-methyl-N-[2-(3-methylphenoxy)ethyl]pyridine-3-carboxamide
CID 107358744
N-[2-(3-chlorophenoxy)ethyl]-5-(2-methoxyethylsulfamoyl)-N,2-dimethylbenzamide
CID 43035433
2-ethylsulfonyl-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 51241861
5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-[3-(3-methylphenoxy)propyl]benzamide
CID 24533372
2-fluoro-N-methyl-5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)benzamide
CID 2455724
2-(3-methylphenoxy)ethyl 4-(methylsulfamoyl)benzoate
CID 46670090
3-[(4-ethoxyphenyl)sulfamoyl]-N-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 24517219
4-fluoro-3-methyl-N-[2-(3-methylphenoxy)ethyl]benzenesulfonamide
CID 113099147
2,2,2-trifluoro-N-methyl-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 62492492

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-N-[2-(3-methylphenoxy)ethyl]-5-(methylsulfamoyl)benzamide?
The IUPAC name of 2-fluoro-N-methyl-N-[2-(3-methylphenoxy)ethyl]-5-(methylsulfamoyl)benzamide (CID 55440414) is 2-fluoro-N-methyl-N-[2-(3-methylphenoxy)ethyl]-5-(methylsulfamoyl)benzamide.
What is the SMILES notation for 2-fluoro-N-methyl-N-[2-(3-methylphenoxy)ethyl]-5-(methylsulfamoyl)benzamide?
The canonical SMILES for 2-fluoro-N-methyl-N-[2-(3-methylphenoxy)ethyl]-5-(methylsulfamoyl)benzamide is CNS(=O)(=O)c1ccc(F)c(C(=O)N(C)CCOc2cccc(C)c2)c1.
What is the InChIKey of 2-fluoro-N-methyl-N-[2-(3-methylphenoxy)ethyl]-5-(methylsulfamoyl)benzamide?
The InChIKey is GBTHFYQAXZDGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O4S/c1-13-5-4-6-14(11-13)25-10-9-21(3)18(22)16-12-15(7-8-17(16)19)26(23,24)20-2/h4-8,11-12,20H,9-10H2,1-3H3.
What are the key properties of 2-fluoro-N-methyl-N-[2-(3-methylphenoxy)ethyl]-5-(methylsulfamoyl)benzamide?
2-fluoro-N-methyl-N-[2-(3-methylphenoxy)ethyl]-5-(methylsulfamoyl)benzamide has a molecular weight of 380.44 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-N-[2-(3-methylphenoxy)ethyl]-5-(methylsulfamoyl)benzamide is sourced from PubChem (CID 55440414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).